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Bio
Jan., 1970 Born in Wakayama, Japan
I examined the capacity of distributed power sources that can be connected to the distribution system using analytical and numerial calculations. I have investigated the electronic structures of negative electrode materials in lithium-ion batteries (LIBs), especially lithium-silicon alloys and lithium-intercalated graphite compounds, using density functional theory (DFT) calculations. I have explored the carbon dioxide (CO2) absorption into aqueous amine solutions, in particular monoethanolamine and diethanolamine, to understand the reaction mechanisms using DFT-based molecular dynamics (DFT-MD) simulations combined with free-energy calculations. In addition, the CO2 absorption properties were experimentally tested for various aqueous amines. I have studied the behavior of liquid water on rutile lead dioxide surfaces using DFT-MD simulation to elucidate the configurations of adsorbed aqueous species. At present, I am striving the electrochemical CO2 conversion.
I have user experience with GROMACS, GAUSSIAN, and VASP as computational material science tools.
Research Interests
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